benzene-1,3-dicarboxylic acid; ditert-butyl benzene-1,3-dicarboperoxoate

Systemtic Name: benzene-1,3-dicarboxylic acid; ditert-butyl benzene-1,3-dicarboperoxoate Openeye Name: ditert-butyl benzene-1,3-dicarboperoxoate; isophthalic acid CAS Name: benzene-1,3-dicarboperoxoic acid ditert-butyl ester; benzene-1,3-dicarboxylic acid IUPAC Name: benzene-1,3-dicarboxylic acid; ditert-butyl benzene-1,3-dicarboperoxoate Traditional Name: benzene-1,3-dicarboperoxoic acid ditert-butyl ester; isophthalic acid Formula: C24H28O10 MolecularWeight: 476.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=O)C1=CC(=CC=C1)C(=O)OOC(C)(C)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OOC(=O)C1=CC(=CC=C1)C(=O)OOC(C)(C)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H22O6.C8H6O4/c1-15(2,3)21-19-13(17)11-8-7-9-12(10-11)14(18)20-22-16(4,5)6;9-7(10)5-2-1-3-6(4-5)8(11)12/h7-10H,1-6H3;1-4H,(H,9,10)(H,11,12)